SCHEMBL4065816

SCHEMBL4065816

CN(C(=O)OCc1ccccc1)[C@@](C)(C(=O)O)c1ccc2ccccc2c1.C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
CTSS P25774 5/20 0.41
CTSB P07858 3/20 0.41
CTSK P43235 2/20 0.41
PPARA Q07869 2/20 0.41
CTSL P07711 4/20 0.39
SYK P43405 1/20 0.39
ACE P12821 1/20 0.38
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
MME P08473 2/20 0.38
ECE1 P42892 1/20 0.38
MAPT P10636 1/20 0.38
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
KLK5 Q9Y337 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2498935 0.83 ALDH1A1 (0.40) CTSSCTSBCTSLKMT2AMAPT
SCHEMBL4061791 0.77 APP (0.50) APPCTSSCTSBCTSKPPARA
SCHEMBL7951407 0.75 SLC6A4 (0.40) CTSSCTSBCTSKPPARAPTPN1
SCHEMBL14493068 0.74 CTSB (0.47) APPCTSSCTSBCTSKPPARA
SCHEMBL3133276 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA
SCHEMBL20993818 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA
SCHEMBL6181712 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA
SCHEMBL16488769 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA
SCHEMBL13827783 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA
SCHEMBL3133278 0.74 CTSS (0.56) APPCTSSCTSBCTSKPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613338-A4 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2009-06-24 EP disclosed
EP-1613338-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING Joullie, Madeleine M. (US) 2006-01-11 EP disclosed
WO-2004084812-A2 TAMANDARIN ANALOGS AND FRAGMENTS THEREOF AND METHODS OF MAKING AND USING JOULLIE MADELEINE M (US) 2004-10-07 WO disclosed